[4-chloranyl-3-(4-methylpiperazin-1-yl)phenyl] 4-(2-methylphenyl)piperazine-1-carboxylate

Systemtic Name: [4-chloranyl-3-(4-methylpiperazin-1-yl)phenyl] 4-(2-methylphenyl)piperazine-1-carboxylate Openeye Name: [4-chloro-3-(4-methylpiperazin-1-yl)phenyl] 4-(o-tolyl)piperazine-1-carboxylate CAS Name: 4-(2-methylphenyl)-1-piperazinecarboxylic acid [4-chloro-3-(4-methyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-chloro-3-(4-methylpiperazin-1-yl)phenyl] 4-(2-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(o-tolyl)piperazine-1-carboxylic acid [4-chloro-3-(4-methylpiperazino)phenyl] ester Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)OC3=CC(=C(C=C3)Cl)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)OC3=CC(=C(C=C3)Cl)N4CCN(CC4)C

InChI

InChI=1S/C23H29ClN4O2/c1-18-5-3-4-6-21(18)26-13-15-28(16-14-26)23(29)30-19-7-8-20(24)22(17-19)27-11-9-25(2)10-12-27/h3-8,17H,9-16H2,1-2H3